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1.
Paul V. Bernhardt Nathan L. Kilah 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):m245-m249
The pendent‐arm macrocyclic hexaamine trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine (L) may coordinate in tetra‐, penta‐ or hexadentate modes, depending on the metal ion and the synthetic procedure. We report here the crystal structures of two pseudo‐octahedral cobalt(III) complexes of L, namely sodium trans‐cyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) triperchlorate, Na[Co(CN)(C13H30N6)](ClO4)3 or Na{trans‐[CoL(CN)]}(ClO4)3, (I), where L is coordinated as a pentadentate ligand, and trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diamine)cobalt(III) trans‐dicyano(trans‐6,13‐dimethyl‐1,4,8,11‐tetraazacyclotetradecane‐6,13‐diaminium)cobalt(III) tetraperchlorate tetrahydrate, [Co(CN)2(C14H32N6)][Co(CN)2(C14H30N6)](ClO4)4·4H2O or trans‐[CoL(CN)2]trans‐[Co(H2L)(CN)2](ClO4)4·4H2O, (II), where the ligand binds in a tetradentate mode, with the remaining coordination sites being filled by C‐bound cyano ligands. In (I), the secondary amine Co—N bond lengths lie within the range 1.944 (3)–1.969 (3) Å, while the trans influence of the cyano ligand lengthens the Co—N bond length of the coordinated primary amine [Co—N = 1.986 (3) Å]. The Co—CN bond length is 1.899 (3) Å. The complex cations in (II) are each located on centres of symmetry. The Co—N bond lengths in both cations are somewhat longer than in (I) and span a narrow range [1.972 (3)–1.982 (3) Å]. The two independent Co—CN bond lengths are similar [1.918 (4) and 1.926 (4) Å] but significantly longer than in the structure of (I), again a consequence of the trans influence of each cyano ligand. 相似文献
2.
Ana María Atria Ricardo Baggio María Teresa Garland Piedad Corts 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m311-m314
The three title compounds, namely 4‐phenyl‐1H‐imidazolium hexa‐μ2‐chloro‐chloro‐μ4‐oxo‐tris(4‐phenyl‐1H‐imidazole‐κN1)tetracopper(II) monohydrate, (C9H9N2)[Cu4Cl7O(C9H8N2)3]·H2O, hexa‐μ2‐chloro‐μ4‐oxo‐tetrakis(pyridine N‐oxide‐κO)tetracopper(II), [Cu4Cl6O(C5H5NO)4], and hexa‐μ2‐chloro‐tetrakis(2‐methyl‐1H‐imidazole‐κN1)‐μ4‐oxo‐tetracopper(II) methanol trisolvate, [Cu4Cl6O(C4H6N2)4]·3CH4O, exhibit the same Cu4OCl6 framework, where the O atom at the centre of an almost regular tetrahedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl6 octahedron, leading to a rather globular species. This special arrangement of the CuII cations results in a diversity of magnetic behaviours. 相似文献
3.
Kaori Yamada Takashi Kawamura Masahiro Ebihara 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m451-m454
The dirhodium complex bis(benzonitrile)tetrakis[μ‐4‐(diethylamino)benzoato‐κ2O:O′]dirhodium(II)(Rh—Rh) benzonitrile disolvate, [Rh2(C11H14NO2)4(C7H5N)2]·2C7H5N, lies about an inversion centre. The dirhodium complex (methanol)tetrakis(μ‐4‐nitrobenzoato‐κ2O:O′)(pyridine)dirhodium(II)(Rh—Rh) dichloromethane solvate, [Rh2(C7H4NO4)4(C5H5N)(CH4O)]·CH2Cl2, lies in a general position in the unit cell, but the complexes dimerize around an inversion centre via O—H⋯O hydrogen bonding of the axial MeOH to a carboxylate O atom. In the latter crystal structure, π–π stacking interactions between the bridging 4‐nitrobenzoate ligands and the axial pyridine ligand are observed between adjacent molecules. 相似文献
4.
The title complex, [Ag4(C7H5O3)2(C8H6N2)4(C7H6O3)4], lies about an inversion centre and has a unique tetranuclear structure consisting of four AgI atoms bridged by four N atoms from two 1,8‐naphthyridine (napy) ligands to form an N:N′‐bridge and four O atoms from two salicylate (SA) ligands to form an O:O′‐bridge. The Ag atoms have distorted octahedral coordination geometry. The centrosymmetric Ag4 ring has Ag—Ag separations of 2.772 (2) and 3.127 (2) Å, and Ag—Ag—Ag angles of 107.70 (4) and 72.30 (4)°. All SA hydroxy groups take part in intramolecular O—H⋯O hydrogen bonding. In the crystal packing, the napy rings are oriented parallel and overlap one another. These π–π interactions, together with weak intermolecular C—H⋯O contacts, stabilize the crystal structure. 相似文献
5.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m228-m230
The title complexes, trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)cobalt(II)–water–methanol (1/2/2), [Co(C10H6NO2)2(H2O)2]·2CH4O·2H2O, and trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)nickel(II)–water–methanol (1/2/2), [Ni(C10H6NO2)2(H2O)2]·2CH4O·2H2O, are isomorphous and contain CoII and NiII ions at centers of inversion. Both complexes have the same distorted octahedral coordination geometry, and each metal ion is coordinated by two quinoline N atoms, two carboxylate O atoms and two water O atoms. The quinoline‐2‐carboxylate ligands lie in trans positions with respect to one another, forming the equatorial plane, with the two water ligands occupying the axial positions. The complex molecules are linked together by hydrogen bonding involving a series of ring patterns which include the uncoordinated water and methanol molecules. 相似文献
6.
Yasunori Muranishi Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m578-m580
trans‐Diaquabis(isoquinoline‐1‐carboxylato‐κ2N,O)cobalt(II) dihydrate, [Co(C10H6NO2)2(H2O)2]·2H2O, and trans‐diaquabis(isoquinoline‐1‐carboxylato‐κ2N,O)nickel(II) dihydrate, [Ni(C10H6NO2)2(H2O)2]·2H2O, contain the same isoquinoline ligand, with both metal atoms residing on a centre of symmetry and having the same distorted octahedral coordination. In the former complex, the Co—O(water) bond length in the axial direction is 2.167 (2) Å, which is longer than the Co—O(carboxylate) and Co—N bond lengths in the equatorial plane [2.055 (2) and 2.096 (2) Å, respectively]. In the latter complex, the corresponding bond lengths for Ni—O(water), Ni—O(carboxylate) and Ni—N are 2.127 (2), 2.036 (2) and 2.039 (3) Å, respectively. Both crystals are stabilized by similar stacking interactions of the ligand, and also by hydrogen bonds between the hydrate and coordinated water molecules. 相似文献
7.
Timothy J. Hubin Nickolay Tyryshkin Nathaniel W. Alcock Daryle H. Busch 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):359-362
The crystal structures are reported of trans‐dioxocyclam dihydrate, C10H20N4O2·2H2O, a structural isomer of the well known cis‐dioxocyclam, and of its novel Ni complex, (1,4,8,11‐tetraazacyclotetradecane‐2,9‐dionato‐κ4N)nickel(II) dihydrate, [Ni(C10H18N4O2)]·2H2O, the first example of a transition metal complex of this ligand. Both molecules lie on crystallographic centres of inversion. The free ligand has two of its N atoms turned outwards from the ring and hydrogen bonded to water molecules. A major conformational change takes place in the complex in which the ligand binds in a trans tetradentate fashion, as suggested by the electronic spectrum. The nickel(II) ion is low spin, although the electronic spectrum of the complex in water indicates an equilibrium mixture of low‐spin and high‐spin species. The irreversible electrochemical oxidation of [NiL1] (L1 is deprotonated trans‐dioxocyclam, C10H18N4O2) in water occurs at a potential of 0.964 V [versus SHE (standard hydrogen electrode)], which is very similar to that for the Ni–cis‐dioxocyclam complex. 相似文献
8.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun Bo‐Long Poh Chatchanok Karalai 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):o675-o677
In the title adduct, 1,3,5,7‐tetraazatricyclo[3.3.1.13,7]decane–4‐nitrobenzene‐1,2‐diol–water (1/2/1), C6H12N4·2C6H5NO4·H2O, the hexamethylenetetramine molecule acts as an acceptor of intermolecular O—H?N hydrogen‐bonding interactions from the water molecule and the hydroxy groups of one of the two symmetry‐independent 4‐nitrocatechol molecules. The structure is built from molecular layers which are stabilized by three intermolecular O—H?O, two intermolecular O—H?N and four intermolecular C—H?O hydrogen bonds. The layers are further interconnected by one additional intermolecular O—H?N and two intermolecular C—H?O hydrogen bonds. 相似文献
9.
Uwe Kolitsch 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m129-m133
Rubidium chromium(III) dioxalate dihydrate [diaquabis(μ‐oxalato)chromium(III)rubidium(I)], [RbCr(C2O4)2(H2O)2], (I), and dicaesium magnesium dioxalate tetrahydrate [tetraaquabis(μ‐oxalato)magnesium(II)dicaesium(I)], [Cs2Mg(C2O4)2(H2O)4], (II), have layered structures which are new among double‐metal oxalates. In (I), the Rb and Cr atoms lie on sites with imposed 2/m symmetry and the unique water molecule lies on a mirror plane; in (II), the Mg atom lies on a twofold axis. The two non‐equivalent Cr and Mg atoms both show octahedral coordination, with a mean Cr—O distance of 1.966 Å and a mean Mg—O distance of 2.066 Å. Dirubidium copper(II) dioxalate dihydrate [diaquabis(μ‐oxalato)copper(II)dirubidium(I)], [Rb2Cu(C2O4)2(H2O)2], (III), is also layered and is isotypic with the previously described K2‐ and (NH4)2CuII(C2O4)2·2H2O compounds. The two non‐equivalent Cu atoms lie on inversion centres and are both (4+2)‐coordinated. Hydrogen bonds are medium‐strong to weak in the three compounds. The oxalate groups are slightly non‐planar only in the Cs–Mg compound, (II), and are more distinctly non‐planar in the K–Cu compound, (III). 相似文献
10.
Cara L. Nygren M. E. T. Bragg John F. C. Turner 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):m4-m6
In the title compound, [ZrCl2(C14H12N)2(C4H8O)2]·1.5C6H6, the Zr atom is pseudo‐octahedral, with two Cl atoms in trans positions and two tetrahydrofuran molecules in cis positions. The two 3,6‐dimethylcarbazolyl ligands are in cis positions and are canted with respect to one another. The two Zr—N distances are 2.1148 (18) and 2.1236 (18) Å, and the N—Zr—N angle is 95.08 (7)°. The title compound crystallizes as the benzene solvate, with one of the benzene molecules positioned on an inversion center. 相似文献
11.
Graeme J. Gainsford Tim Kemmitt 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m206-m208
In the polymeric title compound, [Na2(C4H12BO4)2(CH4O)2]n, the two independent sodium cations are bound by five O atoms. All the O atoms of one tetramethoxyborate anion bind cations, forming a tetrameric cluster around a tetragonal inversion centre [Na—O = 2.2777 (18)–2.3907 (16) Å]. Two methanol O atoms bridge the two Na atoms [Na—O = 2.3590 (15)–2.4088 (18) Å] and provide the hydrogen‐bonding H atoms. The second tetramethoxyborate anion provides two O atoms to one Na atom [mean Na—O = 2.31 (2) Å] and two O atoms as donors for crosslinking hydrogen bonds to adjacent tetramers, which complete the three‐dimensional packing. The crystal was a treated as a racemic twin. 相似文献
12.
Patrick Plitt Frank Rominger Roland Krmer 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o396-o397
The title compound, 8,15,28,35‐tetraazaheptacyclo[35.3.1.12,6.117,21.122,26.09,14·029,34]tetraconta‐1(41),2,4,6(42),7,9,11,13,15,17,19,21(43),22,24,26(44),27,29,31,33,35,37,39‐docosaene‐41,42,43,44‐tetrol dimethyl sulfoxide tetrasolvate, C40H28N4O4·4C2H6OS, adopts a chair‐shaped C2h symmetric conformation with crystallographically imposed inversion symmetry. Four intramolecular hydrogen bonds are observed between phenol O and imine N atoms. 相似文献
13.
Hui‐Zhong Kou Song Gao Ru‐Ji Wang 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m325-m326
A cyano‐bridged bimetallic 4f–3d complex, triaqua‐1κ3O‐μ‐cyano‐1:2κ2N:C‐pentacyano‐2κ5C‐tetrakis(2‐pyrrolidone‐1κO)chromium(III)dysprosium(III) dihydrate, [CrDy(C4H7NO)4(CN)6(H2O)3]·2H2O, has been prepared and characterized by X‐ray crystallographic analysis. The structure consists of a neutral cyano‐bridged Dy–Cr dimer. A hydrogen‐bonded three‐dimensional architecture is formed through N—H?O, O—H?N and O—H?O hydrogen bonds. 相似文献
14.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o1-o5
In the adduct 1,2‐bis(4‐pyridyl)ethane–1,1,1‐tris(4‐hydroxyphenyl)ethane (1/2), C12H12N2·2C20H18O3, the bipyridyl component lies across an inversion centre in P. The tris‐phenol molecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl molecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)ethene–1,1,1‐tris(4‐hydroxyphenyl)ethane–methanol (1/1/1), C12H10N2·C20H18O3·CH4O, the molecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100]. 相似文献
15.
Jiang‐Lin Fang Wei Huang Suchada Chantrapromma S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shao‐Hua Gou Hong‐Sen Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1429-1430
A donor–acceptor compound, diaqua‐1κO,2κO‐[μ‐11,23‐dimethyl‐3,7,15,19‐tetraazatricyclo[19.3.1.19,13]hexacosa‐1(25),2,7,9,11,13(26),14,19,21,23‐decaene‐25,26‐diolato‐1κ4N3,N7,O25,O26:2κ4N15,N19,O25,O26]dizinc(II) diperchlorate bis(8‐methylquinoline) ethanol disolvate, [Zn2(C24H26N4O2)(H2O)2](ClO4)2·2C10H9N·2C2H6O, obtained by the reaction of a dinuclear zinc(II) complex of a Robson macrocycle (acceptor) and 8‐methylquinoline (donor), lies about an inversion centre and the coordination about the unique Zn atom is a distorted square pyramid. The fifth coordination site is occupied by the water molecule, Zn—O = 2.016 (2) Å, and the average macrocyclic Zn—O and Zn—N distances are 2.059 (6) and 2.059 (3) Å, respectively. 相似文献
16.
Matthias W. Esterhuysen Helgard G. Raubenheimer 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(7):m286-m288
The title compound, tetracarbonyl‐1κ4C‐tris(triphenylphosphino)‐1κP,2κP,3κP‐triangulo‐chromiumdigold(Au—Au)(2 Cr—Au) tetrahydrofuran solvate, [Au2Cr(C18H15P)3(CO)4]·C4H8O, is a stable isolobal analogue of the extremely labile [(η2‐H2)CrLn–1] molecular hydrogen complex (n = 6; L is a neutral ligand, e.g. CO or PPh3), and features the shortest known separation [2.6937 (2) Å] between two Au atoms in a triangular heteronuclear metal‐cluster framework. 相似文献
17.
Eric P. Kelson Proma P. Phengsy Atta M. Arif 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):517-519
The aldehyde moiety in the title complex, chloro(2‐pyridinecarboxaldehyde‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–chloro(2‐pyridinecarboxylic acid‐N,O)(2,2′:6′,2′′‐terpyridine‐κ3N)ruthenium(II)–perchlorate–chloroform–water (1.8/0.2/2/1/1), [RuCl(C6H5NO)(C15H11N3)]1.8[RuCl(C6H5NO2)(C15H11N3)]0.2(ClO4)2·CHCl3·H2O, is a structural model of substrate coordination to a transfer hydrogenation catalyst. The title complex features two independent RuII complex cations that display very similar distorted octahedral coordination provided by the three N atoms of the 2,2′:6′,2′′‐terpyridine ligand, the N and O atoms of the 2‐pyridinecarboxaldehyde (pyCHO) ligand and a chloride ligand. One of the cation sites is disordered such that the aldehyde group is replaced by a 20 (1)% contribution from a carboxylic acid group (aldehyde H replaced by carboxyl O—H). Notable dimensions in the non‐disordered complex cation are Ru—N 2.034 (2) Å and Ru—O 2.079 (2) Å to the pyCHO ligand and O—C 1.239 (4) Å for the pyCHO carbonyl group. 相似文献
18.
Ljiljana Karanovi Dejan Poleti Jelena Rogan Goran A. Bogdanovi Anne Spasojevi‐de Bir 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m275-m279
The title complexes, catena‐poly[[aqua(1,10‐phenanthroline‐κ2N,N′)cobalt(II)]‐μ‐benzene‐1,4‐dicarboxylato‐κ2O1:O4], [Co(C8H4O4)(C12H8N2)(H2O)], (I), and catena‐poly[[[(di‐2‐pyridyl‐κN‐amine)copper(II)]‐μ‐benzene‐1,4‐dicarboxylato‐κ4O1,O1′:O4,O4′] hydrate], [Cu(C8H4O4)(C10H9N3)]·H2O, (II), take the form of zigzag chains, with the 1,4‐benzenedicarboxylate ion acting as an amphimonodentate ligand in (I) and a bis‐bidentate ligand in (II). The CoII ion in (I) is five‐coordinate and has a distorted trigonal–bipyramidal geometry. The CuII ion in (II) is in a very distorted octahedral 4+2 environment, with the octahedron elongated along the trans O—Cu—O bonds and with a trans O—Cu—O angle of only 137.22 (8)°. 相似文献
19.
Christopher G. Pernin James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):376-378
The X‐ray crystal structures of P,P′‐iminobis(diphenylselenophosphine) tetrahydrofuran solvate, C24H21NP2Se2·C4H8O, (I), and bis(tetrahydrofuran) solvate, C24H21NP2Se2·2C4H8O, (II), have been determined; (I) has twofold crystallographic symmetry. In each compound, the O atom of one molecule of tetrahydrofuran is hydrogen bonded to the amide‐H atom of HN(SePPh2)2. The conformation of the Se—P—N—P—Se chains in (I), (II), and the crystal structure of the unsolvated HN(SePPh2)2 are different. 相似文献
20.
Cassandra J. Martin David C. R. Hockless Max R. Taylor Lisandra L. Martin 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):e549-e549
The previously unknown title compound, tetra‐μ‐acetato‐1:2κ2O;1:2κ2O:O′;2:3κ2O;2:3κ2O:O′‐diaqua‐1κO,3κO‐bis(μ‐2‐{[N‐ethyl‐N‐(2‐hydroxy‐5‐methylbenzyl)amino]methyl}‐1‐methyl‐1H‐benzimidazole)‐1κ3N3,N,O:2κO;3κ3N3,N,O:2κO‐trinickel(II) tetrahydrate, [Ni3(C18H22N3O)2(C2H3O2)4(H2O)2]·4H2O, (I), is a centrosymmetric linear trinuclear nickel(II) complex, where the Ni atoms are in an octahedral coordination and the ligand heteroatoms act so as to model amino acid residues. 相似文献